Rheunervol
TL;DR: Rheunervol (CAS 79234-27-8) is a chemical compound with molecular formula C31H43Cl2NO7 and molecular weight 611.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloroethane;methyl 2-(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate;methyl 2-hydroxybenzoate;propyl pyridine-3-carboxylate
Also Known As: Rheunervol, 3-Pyridinecarboxylic acid, propyl ester, mixt. with 1,2-dichloroethane, methyl 2-hydroxybenzoate and exo-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl acetate, 1,2-dichloroethane,methyl 2-(7,7-dimethyl-3-bicyclo[2.2.1]heptanyl)acetate,methyl 2-hydroxybenzoate,propyl pyridine-3-carboxylate, 1,2-dichloroethane; methyl 2-(7,7-dimethyl-3-bicyclo[2.2.1]heptanyl)acetate; methyl 2-hydroxybenzoate; propyl pyridine-3-carboxylate, 1,2-dichloroethane; methyl 2-(7,7-dimethyl-6-bicyclo[2.2.1]heptanyl)acetate; methyl 2-hydroxybenzoate; propyl pyridine-3-carboxylate
| Molecular Formula | C31H43Cl2NO7 |
|---|---|
| Molecular Weight | 611.24 g/mol |
| LogP | 6.913 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 611.24164 |
| Heavy Atoms | 41 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 79234-27-8 |
|---|---|
| SMILES | CCCOC(=O)C1=CN=CC=C1.CC1(C2CCC1C(C2)CC(=O)OC)C.COC(=O)C1=CC=CC=C1O.C(CCl)Cl |
| InChIKey | YNRSQJUSGXGNGD-UHFFFAOYSA-N |
Product Overview
Rheunervol (CAS 79234-27-8), with molecular formula C31H43Cl2NO7 and molecular weight 611.24 g/mol. IUPAC: 1,2-dichloroethane;methyl 2-(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate;methyl 2-hydroxybenzoate;propyl pyridine-3-carboxylate.
Chemical Property Profile of Rheunervol
Property Insights of Rheunervol
The XLogP value of 6.913 indicates that Rheunervol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Rheunervol. Following Lipinski's Rule of Five, Rheunervol has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rheunervol?
The CAS number of Rheunervol is 79234-27-8.
What is the molecular formula of Rheunervol?
The molecular formula of Rheunervol is C31H43Cl2NO7.
What is the molecular weight of Rheunervol?
The molecular weight of Rheunervol is 611.24 g/mol.
Where can I buy Rheunervol?
You can request a quote for Rheunervol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rheunervol?
Yes, KEHONG BIO provides custom synthesis services for Rheunervol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.